HMDB0037372 RDKit 3D 3-Methylbutyl dodecanoate 53 52 0 0 0 0 0 0 0 0999 V2000 5.5821 -2.8720 -0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8849 -2.1192 0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9427 -0.6370 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2834 0.1895 1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 1.6525 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 1.9757 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 1.6573 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 2.4022 0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 2.0149 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5928 2.3153 -1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0364 1.9175 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 0.4695 -0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -0.3318 -0.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4425 -0.1453 -0.7555 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -1.5450 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 -1.8413 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6520 -1.0477 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1349 -1.2792 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9341 -1.4544 1.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2064 -2.4598 -1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -3.9632 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6763 -2.7010 -0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4704 -2.3193 1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8612 -2.4845 0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 -0.4752 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9783 -0.3273 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -0.1001 1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 0.0117 2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9171 2.2514 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4424 1.9926 0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 3.0778 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2209 1.4730 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9048 1.9814 -1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1184 0.5709 -0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8185 2.0812 1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5431 3.4852 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5236 2.7050 1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 1.0136 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 1.7774 -1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 3.4200 -1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6609 2.5116 -0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4136 2.2366 -2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 -1.8759 0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1293 -2.1401 -1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2214 -2.9334 -0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5596 -1.5890 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4765 0.0340 0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6774 -0.3193 0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5349 -1.8994 -0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3222 -1.7956 1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7277 -2.5388 1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5035 -1.1567 2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 -0.8665 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 19 53 1 0 M END